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Research

Modeling and simulation of Antimicrobial peptides as anitbiotics

In this study, we perform a bioinformatics study to model a short peptides and use MD simulation to study the modeled peptide and the modeled peptide for potential antimicrobial activity.

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Role of phase separation in the formation of the macromolecular complexes 

We modeled protein as bead-spring polymer chains and simulated using Langevin dynamics to study the role of the non-specific interaction in the phase separation of polymer chains and the formation of mature multimeric complexes which resemble macromolecular complexes.

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Study of various interactions involved in phase separation of proteins on DNA.

We modeled DNA as a simple bead-spring polymer and protein as LJ particles and simulated the system of proteins and DNA to study the effect of various interactions, phase-separation of proteins, and the DNA conformations on the formation of the DNA-protein cluster in the context of DNA damage repair.

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